robert.elder
added get_properties option to ResolveChemical and exposure.py to only get some properties like MP, and added show_properties flag to exposure.py to show/hide properties
f685541 | <html lang="en"> | |
| <head> | |
| <meta charset="UTF-8"> | |
| <title>CHRIS-ChemError</title> | |
| <link rel= "stylesheet" type= "text/css" href= "{{ url_for('static',filename='styles.css') }}"> | |
| <style> | |
| * { | |
| box-sizing: border-box; | |
| } | |
| /* Create two equal columns that floats next to each other */ | |
| .column { | |
| float: left; | |
| width: 50%; | |
| padding: 10px; | |
| vertical-align: top; | |
| align: center; | |
| } | |
| /* Clear floats after the columns */ | |
| .row:after { | |
| content: ""; | |
| display: table; | |
| clear: both; | |
| } | |
| </style> | |
| </head> | |
| <img src="{{ url_for('static',filename='images/FDAlogo.png') }}" style="float: left;" height="100"/> | |
| <img src="{{ url_for('static',filename='images/FDAgraphic.png') }}" style="float: right;" height="100"/> | |
| <br clear="all" /> | |
| <body> | |
| <div style="font-size:5rem;text-align:center"> 🤦 </div> | |
| <h2> Compound </h2> | |
| <div class="container"> | |
| <div class="row"> | |
| <div class="column"> | |
| Input :: {{chemName}} <br> <br> | |
| IUPAC Name :: {{iupac}} <br> <br> | |
| CAS :: {{cas}} <br> <br> | |
| Molecular weight (g/mol) :: {{'%0.4f'%MW|float}} <br> <br> | |
| {% if show_properties %} | |
| LogKow :: {{LogP}}{{LogP_origin}} <br> <br> | |
| Density (g/cm<sup>3</sup>) :: {{rho}}{{rho_origin}} <br> <br> | |
| Melting point (°C) :: {{mp}}{{mp_origin}} <br> <br> | |
| {% endif %} | |
| SMILES :: {{smiles}} | |
| </div> | |
| <div class="column"> | |
| <img src="{{molImage}}"/> | |
| </div> | |
| </div> | |
| </div> | |
| <p style="font-size:2rem;text-align:center"> | |
| Unfortunately, CHRIS cannot be used for chemicals with Mw < 100 g/mol. Please return to the previous page to evaluate | |
| a different chemical. | |
| </p> | |
| </body> | |